Crystal and molecular structure of synthetic antidiabetic compound: Derivatives of tetrahydro indoles(1-n-butyl-2,6,6 '-trimethyl-4-oxo-4,5,6,7-tetrahydro-3 indole acetic acid) and modeling studies

The crystal and molecular structure of (1-n-butyl-2,6,6'-trimethyl-4-oxo-4, 5,6,7 - tetrahydro - 3 indole acetic acid) with desirable anti hyperglycemi c properties is reported. The title compound crystallises in orthorhombic s pace group Pbca with z = 8. The unit cell dimensions are a=15.698(13)Angstr om, b=11.639(2)Angstrom. c = 18.506(3)Angstrom. V = 3381.2(29)Angstrom (3), Deal = 1.145Mg/m(3). The cyclohexane ring adopts a sofa conformation. The structure is stabilized by C-H---O and O-H---O hydrogen bonds. Molecular mo deling studies on this class of compounds and the classical antidiabetic ag ent tolbutamide reveal a structural basis for the similar biological activi ty exhibited by two totally structurally unrelated compounds.